4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide

C15H17N3OS — CID 50973177

IUPAC4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)c1cc(N)ccn1
InChIInChI=1S/C15H17N3OS/c1-3-8-18(10-13-5-4-11(2)20-13)15(19)14-9-12(16)6-7-17-14/h3-7,9H,1,8,10H2,2H3,(H2,16,17)
InChIKeyXHQMIJWEJZSACJ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.86
Rot. Bonds5

About 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide

4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 50973177) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide
PubChem CID50973177
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCN(Cc1ccc(C)s1)C(=O)c1cc(N)ccn1
InChIInChI=1S/C15H17N3OS/c1-3-8-18(10-13-5-4-11(2)20-13)15(19)14-9-12(16)6-7-17-14/h3-7,9H,1,8,10H2,2H3,(H2,16,17)
InChIKeyXHQMIJWEJZSACJ-UHFFFAOYSA-N
XLogP2.86
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide (CID 50973177) is 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide is C=CCN(Cc1ccc(C)s1)C(=O)c1cc(N)ccn1.
What is the InChIKey of 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is XHQMIJWEJZSACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-8-18(10-13-5-4-11(2)20-13)15(19)14-9-12(16)6-7-17-14/h3-7,9H,1,8,10H2,2H3,(H2,16,17).
What are the key properties of 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide?
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 50973177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).